2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

C17H20F3N3OS — CID 71808039

IUPAC2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCCn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C17H20F3N3OS/c1-12(2)25-14-5-3-13(4-6-14)11-16(24)21-8-10-23-9-7-15(22-23)17(18,19)20/h3-7,9,12H,8,10-11H2,1-2H3,(H,21,24)
InChIKeyDZGDDOFONTXKBU-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.76
Rot. Bonds7

About 2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (PubChem CID 71808039) has the molecular formula C17H20F3N3OS and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
PubChem CID71808039
Molecular FormulaC17H20F3N3OS
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC Name2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCCn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C17H20F3N3OS/c1-12(2)25-14-5-3-13(4-6-14)11-16(24)21-8-10-23-9-7-15(22-23)17(18,19)20/h3-7,9,12H,8,10-11H2,1-2H3,(H,21,24)
InChIKeyDZGDDOFONTXKBU-UHFFFAOYSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

beta-Substituted cyclohexanecarboxamide, 10
CID 23648456
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CID 44440454
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191222
S-[6-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]hexyl] ethanethioate
CID 127025541
N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide
CID 145964712
N-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide
CID 24979449
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CID 24231427
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CID 71797512
N-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-3-(phenylthio)propanamide
CID 71807753
N-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 71807772
4-methyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (CID 71808039) is 2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is CC(C)Sc1ccc(CC(=O)NCCn2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The InChIKey is DZGDDOFONTXKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3OS/c1-12(2)25-14-5-3-13(4-6-14)11-16(24)21-8-10-23-9-7-15(22-23)17(18,19)20/h3-7,9,12H,8,10-11H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide has a molecular weight of 371.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfanylphenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 71808039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).